Ketcher 08022114172D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 -1.3200 1.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 -0.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0848 0.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 0.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -1.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -2.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -3.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 -3.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -4.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4539 -2.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 -4.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -4.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -4.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 2.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3631 2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2291 2.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8272 2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9612 2.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9612 1.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0951 2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0951 3.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 1.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3631 1.8564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4539 0.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4539 -0.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4539 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4539 2.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28 30 1 0 0 0 30 26 1 0 0 0 30 1 1 0 0 0 28 2 1 0 0 0 28 3 1 0 0 0 26 4 1 0 0 0 1 5 1 0 0 0 2 6 2 0 0 0 2 7 1 0 0 0 6 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 10 12 1 0 0 0 10 13 2 0 0 0 11 14 1 0 0 0 12 15 1 0 0 0 14 16 1 6 0 0 3 4 1 0 0 0 5 7 1 0 0 0 14 15 1 0 0 0 26 18 1 0 0 0 18 17 1 6 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 24 1 0 0 0 24 22 1 0 0 0 22 21 1 0 0 0 22 23 1 0 0 0 24 25 1 6 0 0 26 27 1 6 0 0 28 29 1 6 0 0 30 31 1 1 0 0 M END > CHEBI:28934 > vitamin D2 > A vitamin D supplement and has been isolated from alfalfa. > 3 > CHEBI:23937; CHEBI:10007 > Vitamina D2; vitamin D(2); Vitamin D2; oleovitamin D2; ercalciol; calciferol; activated ergosterol; (5Z,7E,22E)-(3S)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol; (5Z,7E,22E)-(3S)-9,10-seco-5,7,10(19),22-ergostatetraen-3-ol; (3beta,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol; (+)-vitamin D2 > (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol > ergocalciferolum; ergocalciferol; ergocalciferol; ergocalciferol > Vitavel-D; Viosterol; Vio-D; Sterogyl; Rodinec; Rodine C; Radsterin; Radiostol; Ostelin; Geltabs; Ertron; Drisdol; Doral; Diactol; Deltalin; Dee-Ron; Decaps; Buco-D > C28H44O > 396.659 > 396.33922 > 0 > [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)\C=C\[C@H](C)C(C)C > InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1 > MECHNRXZTMCUDQ-RKHKHRCZSA-N > 1916682 > 50-14-6 > 1310395 > 50-14-6 > DB00153 > C05441 > D00187 > LMST03010001 > VITAMIN_D2 > 50-14-6 > D2V > Ergocalciferol > IND605848433 > PMC6578466 > 24362707; 24780068; 24854739; 31199458; 31614966; 31987498; 32784944; 34302325 $$$$